(3S)-N,N-dimethylmorpholine-3-carboxamide;2,2,2-trifluoroacetic acid

C9H15F3N2O4 — CID 67429832

IUPAC(3S)-N,N-dimethylmorpholine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)[C@@H]1COCCN1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H14N2O2.C2HF3O2/c1-9(2)7(10)6-5-11-4-3-8-6;3-2(4,5)1(6)7/h6,8H,3-5H2,1-2H3;(H,6,7)/t6-;/m0./s1
InChIKeyCUMYKPARZHSYMQ-RGMNGODLSA-N
MW272.22 g/mol
LogP-0.30
Rot. Bonds1

About (3S)-N,N-dimethylmorpholine-3-carboxamide;2,2,2-trifluoroacetic acid

(3S)-N,N-dimethylmorpholine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 67429832) has the molecular formula C9H15F3N2O4 and a molecular weight of 272.22 g/mol. Its IUPAC name is (3S)-N,N-dimethylmorpholine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(3S)-N,N-dimethylmorpholine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID67429832
Molecular FormulaC9H15F3N2O4
Molecular Weight272.22 g/mol
Exact Mass272.10
IUPAC Name(3S)-N,N-dimethylmorpholine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C(=O)[C@@H]1COCCN1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H14N2O2.C2HF3O2/c1-9(2)7(10)6-5-11-4-3-8-6;3-2(4,5)1(6)7/h6,8H,3-5H2,1-2H3;(H,6,7)/t6-;/m0./s1
InChIKeyCUMYKPARZHSYMQ-RGMNGODLSA-N
XLogP-0.30
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-N,N-dimethylmorpholine-3-carboxamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-dimethylmorpholine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (3S)-N,N-dimethylmorpholine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 67429832) is (3S)-N,N-dimethylmorpholine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (3S)-N,N-dimethylmorpholine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (3S)-N,N-dimethylmorpholine-3-carboxamide;2,2,2-trifluoroacetic acid is CN(C)C(=O)[C@@H]1COCCN1.O=C(O)C(F)(F)F.
What is the InChIKey of (3S)-N,N-dimethylmorpholine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is CUMYKPARZHSYMQ-RGMNGODLSA-N. The full InChI is InChI=1S/C7H14N2O2.C2HF3O2/c1-9(2)7(10)6-5-11-4-3-8-6;3-2(4,5)1(6)7/h6,8H,3-5H2,1-2H3;(H,6,7)/t6-;/m0./s1.
What are the key properties of (3S)-N,N-dimethylmorpholine-3-carboxamide;2,2,2-trifluoroacetic acid?
(3S)-N,N-dimethylmorpholine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 272.22 g/mol, XLogP of -0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-dimethylmorpholine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67429832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).